N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride

C9H17ClN4 — CID 19002142

IUPACN'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
SMILESCCC/C(N)=N\c1cc(CC)[nH]n1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-3-5-8(10)11-9-6-7(4-2)12-13-9;/h6H,3-5H2,1-2H3,(H3,10,11,12,13);1H
InChIKeyUKWMYXGNUHPMNF-UHFFFAOYSA-N
MW216.72 g/mol
LogP2.18
Rot. Bonds4

About N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride

N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride (PubChem CID 19002142) has the molecular formula C9H17ClN4 and a molecular weight of 216.72 g/mol. Its IUPAC name is N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
PubChem CID19002142
Molecular FormulaC9H17ClN4
Molecular Weight216.72 g/mol
Exact Mass216.11
IUPAC NameN'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
SMILESCCC/C(N)=N\c1cc(CC)[nH]n1.Cl
InChIInChI=1S/C9H16N4.ClH/c1-3-5-8(10)11-9-6-7(4-2)12-13-9;/h6H,3-5H2,1-2H3,(H3,10,11,12,13);1H
InChIKeyUKWMYXGNUHPMNF-UHFFFAOYSA-N
XLogP2.18
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
The IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride (CID 19002142) is N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride.
What is the SMILES notation for N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
The canonical SMILES for N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride is CCC/C(N)=N\c1cc(CC)[nH]n1.Cl.
What is the InChIKey of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
The InChIKey is UKWMYXGNUHPMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.ClH/c1-3-5-8(10)11-9-6-7(4-2)12-13-9;/h6H,3-5H2,1-2H3,(H3,10,11,12,13);1H.
What are the key properties of N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride?
N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride has a molecular weight of 216.72 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride is sourced from PubChem (CID 19002142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).